Formula |
C20H19F3N6O |
IUPAC Name |
4-[(1r)-1-(3,5-dihydro-2h-pyrazin-4-yl)-1-hydroxy-ethyl]-7-[3-(trifluoromethyl)phenyl]-5h-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Molecular Mass |
416.400 g·mol−1 |
Heat of Formation |
-251.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.46 ± 1.08 D |
Volume |
462.07 Å 3 |
Surface Area |
380.17 Å 2 |
HOMO Energy |
-9.00 ± 0.55 eV |
LUMO Energy |
-0.90 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GSQLHOYEWAKULC-LJQANCHMSA-N |
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Elements |
H
C
N
O
F
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